N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide

C38H33N5O — CID 11467287

IUPACN-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide
SMILESCCCCCC(=O)Nc1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2
InChIInChI=1S/C38H33N5O/c1-2-3-6-15-35(44)43-38-33-22-20-31(41-33)36(25-11-7-4-8-12-25)29-18-16-27(39-29)24-28-17-19-30(40-28)37(26-13-9-5-10-14-26)32-21-23-34(38)42-32/h4-5,7-14,16-24,39-40H,2-3,6,15H2,1H3,(H,43,44)/b27-24-,28-24-,36-29-,36-31-,37-30-,37-32-,38-33+,38-34+
InChIKeyRWTQYQJJUIMEMO-JBARNPONSA-N
MW575.72 g/mol
LogP9.51
Rot. Bonds7

About N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide

N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide (PubChem CID 11467287) has the molecular formula C38H33N5O and a molecular weight of 575.72 g/mol. Its IUPAC name is N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide.

Molecular Properties

Compound NameN-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide
PubChem CID11467287
Molecular FormulaC38H33N5O
Molecular Weight575.72 g/mol
Exact Mass575.27
IUPAC NameN-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide
SMILESCCCCCC(=O)Nc1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2
InChIInChI=1S/C38H33N5O/c1-2-3-6-15-35(44)43-38-33-22-20-31(41-33)36(25-11-7-4-8-12-25)29-18-16-27(39-29)24-28-17-19-30(40-28)37(26-13-9-5-10-14-26)32-21-23-34(38)42-32/h4-5,7-14,16-24,39-40H,2-3,6,15H2,1H3,(H,43,44)/b27-24-,28-24-,36-29-,36-31-,37-30-,37-32-,38-33+,38-34+
InChIKeyRWTQYQJJUIMEMO-JBARNPONSA-N
XLogP9.51
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 59.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)benzamide
CID 11319668
N-[4-[10,15,20-tris[4-(octanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]octanamide
CID 136810655
N-[4-[10,15,20-tris[4-(hexadecanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]hexadecanamide
CID 136826487
15-octylsulfanyl-10,20-diphenyl-21,22-dihydroporphyrin
CID 11433445
N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide
CID 135978112
4-chloro-N-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]butanamide
CID 10887120
15-(4-methoxyphenyl)-10,20-diphenyl-21,22-dihydroporphyrin
CID 10603098
15-[(E)-2-bromoethenyl]-10,20-diphenyl-21,22-dihydroporphyrin
CID 10769334
3-(15-hexyl-10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenol
CID 136798654
5,10,15-tris(3,5-dioctoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136690948
8-amino-N-[4-[10,15,20-tris[4-(8-aminooctanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]octanamide
CID 135542396
10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381

Frequently Asked Questions

What is the IUPAC name of N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide?
The IUPAC name of N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide (CID 11467287) is N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide.
What is the SMILES notation for N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide?
The canonical SMILES for N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide is CCCCCC(=O)Nc1c2nc(c(-c3ccccc3)c3ccc(cc4ccc([nH]4)c(-c4ccccc4)c4nc1C=C4)[nH]3)C=C2.
What is the InChIKey of N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide?
The InChIKey is RWTQYQJJUIMEMO-JBARNPONSA-N. The full InChI is InChI=1S/C38H33N5O/c1-2-3-6-15-35(44)43-38-33-22-20-31(41-33)36(25-11-7-4-8-12-25)29-18-16-27(39-29)24-28-17-19-30(40-28)37(26-13-9-5-10-14-26)32-21-23-34(38)42-32/h4-5,7-14,16-24,39-40H,2-3,6,15H2,1H3,(H,43,44)/b27-24-,28-24-,36-29-,36-31-,37-30-,37-32-,38-33+,38-34+.
What are the key properties of N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide?
N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide has a molecular weight of 575.72 g/mol, XLogP of 9.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)hexanamide is sourced from PubChem (CID 11467287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).